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Home > Pyridines > 1105197-18-9
1105197-18-9 | 4-ISOPROPYL-1-(2-METHYLPHENYL)-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDAZIN-7-+
CAS No: 1105197-18-9 Catalog No: AG01ARNP MDL No:MFCD11986569
Product Description
Catalog Number:
AG01ARNP
Chemical Name:
4-ISOPROPYL-1-(2-METHYLPHENYL)-1,6-DIHYDRO-7H-PYRAZOLO[3,4-D]PYRIDAZIN-7-+
CAS Number:
1105197-18-9
Molecular Formula:
C15H16N4O
Molecular Weight:
268.3137
MDL Number:
MFCD11986569
IUPAC Name:
1-(2-methylphenyl)-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C15H16N4O/c1-9(2)13-11-8-16-19(14(11)15(20)18-17-13)12-7-5-4-6-10(12)3/h4-9H,1-3H3,(H,18,20)
InChI Key:
JKZDCHCPRJLKMJ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1n1ncc2c1c(=O)[nH]nc2C(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.32g/mol
Monoisotopic Mass:
268.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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